N-benzyl-2-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide

C19H17FN2O2S — CID 46066862

IUPACN-benzyl-2-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)N(C)Cc3ccccc3)cs2)c(F)c1
InChIInChI=1S/C19H17FN2O2S/c1-22(11-13-6-4-3-5-7-13)19(23)17-12-25-18(21-17)15-9-8-14(24-2)10-16(15)20/h3-10,12H,11H2,1-2H3
InChIKeyWQUCGRBSTGSLGD-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.23
Rot. Bonds5

About N-benzyl-2-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide

N-benzyl-2-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 46066862) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is N-benzyl-2-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID46066862
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC NameN-benzyl-2-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)N(C)Cc3ccccc3)cs2)c(F)c1
InChIInChI=1S/C19H17FN2O2S/c1-22(11-13-6-4-3-5-7-13)19(23)17-12-25-18(21-17)15-9-8-14(24-2)10-16(15)20/h3-10,12H,11H2,1-2H3
InChIKeyWQUCGRBSTGSLGD-UHFFFAOYSA-N
XLogP4.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 46066862) is N-benzyl-2-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)N(C)Cc3ccccc3)cs2)c(F)c1.
What is the InChIKey of N-benzyl-2-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is WQUCGRBSTGSLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-22(11-13-6-4-3-5-7-13)19(23)17-12-25-18(21-17)15-9-8-14(24-2)10-16(15)20/h3-10,12H,11H2,1-2H3.
What are the key properties of N-benzyl-2-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
N-benzyl-2-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-fluoro-4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46066862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).